2-[2-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]-8-methyl-4-methylidene-3,1-benzoxazine

C19H15ClN4O — CID 58202422

IUPAC2-[2-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]-8-methyl-4-methylidene-3,1-benzoxazine
SMILESC=C1OC(c2cc(C)nn2-c2ncccc2Cl)=Nc2c(C)cccc21
InChIInChI=1S/C19H15ClN4O/c1-11-6-4-7-14-13(3)25-19(22-17(11)14)16-10-12(2)23-24(16)18-15(20)8-5-9-21-18/h4-10H,3H2,1-2H3
InChIKeyOPLHKDDLJYIPHH-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.62
Rot. Bonds2

About 2-[2-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]-8-methyl-4-methylidene-3,1-benzoxazine

2-[2-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]-8-methyl-4-methylidene-3,1-benzoxazine (PubChem CID 58202422) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-[2-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]-8-methyl-4-methylidene-3,1-benzoxazine.

Molecular Properties

Compound Name2-[2-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]-8-methyl-4-methylidene-3,1-benzoxazine
PubChem CID58202422
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name2-[2-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]-8-methyl-4-methylidene-3,1-benzoxazine
SMILESC=C1OC(c2cc(C)nn2-c2ncccc2Cl)=Nc2c(C)cccc21
InChIInChI=1S/C19H15ClN4O/c1-11-6-4-7-14-13(3)25-19(22-17(11)14)16-10-12(2)23-24(16)18-15(20)8-5-9-21-18/h4-10H,3H2,1-2H3
InChIKeyOPLHKDDLJYIPHH-UHFFFAOYSA-N
XLogP4.62
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-8-methyl-4H-3,1-benzoxazine-4-carbaldehyde
CID 174569748
2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-5-chloro-8-methyl-4H-3,1-benzoxazine-4-carbaldehyde
CID 174571768
2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-8-phenyl-4H-3,1-benzoxazine
CID 141169274
methyl 2-[[2-[[2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carbonyl]amino]-3-methylbenzoyl]amino]acetate
CID 58202388
2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-7-methyl-4H-3,1-benzoxazine-4-carbaldehyde
CID 174556951
1-[1-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]ethanone
CID 141002934
2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine
CID 155042082
[1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid
CID 75485989
2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 59757146
3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one
CID 23042094
2-(3-bromo-5-ethylpyrazol-1-yl)-3-chloropyridine
CID 143762317
2-[5-methyl-2-(3-nitro-2-pyridinyl)pyrazol-3-yl]phenol
CID 135465507

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]-8-methyl-4-methylidene-3,1-benzoxazine?
The IUPAC name of 2-[2-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]-8-methyl-4-methylidene-3,1-benzoxazine (CID 58202422) is 2-[2-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]-8-methyl-4-methylidene-3,1-benzoxazine.
What is the SMILES notation for 2-[2-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]-8-methyl-4-methylidene-3,1-benzoxazine?
The canonical SMILES for 2-[2-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]-8-methyl-4-methylidene-3,1-benzoxazine is C=C1OC(c2cc(C)nn2-c2ncccc2Cl)=Nc2c(C)cccc21.
What is the InChIKey of 2-[2-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]-8-methyl-4-methylidene-3,1-benzoxazine?
The InChIKey is OPLHKDDLJYIPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-11-6-4-7-14-13(3)25-19(22-17(11)14)16-10-12(2)23-24(16)18-15(20)8-5-9-21-18/h4-10H,3H2,1-2H3.
What are the key properties of 2-[2-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]-8-methyl-4-methylidene-3,1-benzoxazine?
2-[2-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]-8-methyl-4-methylidene-3,1-benzoxazine has a molecular weight of 350.81 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]-8-methyl-4-methylidene-3,1-benzoxazine is sourced from PubChem (CID 58202422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).